actinoquinonal_A_NMR_Data.cosy
Dataset description:
This dataset contains NMR spectra obtained for the sample -actinoquinonal_A_NMR_Data date: 2021-10-02T04:26:18.000Z isFt: true name: actinoquinonal_A_NMR_Data/0 phc0: 0,0 phc1: 0,0 type:...
Source: actinoquinonal_A_NMR_Data.cosy
Chemical Info
| InChI | InChI=1S/C21H23NO7/c1-9(2)3-4-14-16-10(5-11(29-14)7-15(24)25)6-12-17(21(16)28)19(26)13(8-23)18(22)20(12)27/h6,8-9,11,14,28H,3-5,7,22H2,1-2H3,(H,24,25)/t11-,14-/m0/s1 |
|---|---|
| SMILES | CC(C)CC[C@@H]1O[C@H](CC(=O)O)CC2=CC3=C(C(=O)C(C=O)=C(N)C3=O)C(O)=C21 |
| InChI Key | NPGKFFQPHSMESG-FZMZJTMJSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 5, 2025 |
| Metadata last updated | February 5, 2025 |
| Created | February 5, 2025 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International |
| Id | aad85334-f108-447b-912b-e770bdd94948 |
| Package id | nmrxiv-d3594 |
| Resource type | HTML |
| State | active |